Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)methioninate
Catalog ID
STK624826
SMILES CSCCC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)NC(=O)OC(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H33NO8S MW 555.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO8S/c1-17-25(18-7-10-22-24(15-18)35-13-6-12-34-22)26(31)20-9-8-19(16-23(20)36-17)37-27(32)21(11-14-39-5)30-28(33)38-29(2,3)4/h7-10,15-16,21H,6,11-14H2,1-5H3,(H,30,33)InChIKey
UBUWADSFZAZTBS-UHFFFAOYSA-NSynonyms
(3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXOCHROMEN7YL)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)4METHYLSULFANYLBUTANOATE
(S)3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl2((tertbutoxycarbonyl)amino)4(methylthio)butanoate
3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7ylN(tertbutoxycarbonyl)methioninate
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCSC)NC(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCCCO4
CSCC(C@@H)(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C)NC(=O)OC(C)(C)C
InChI=1SC29H33NO8Sc11725(187102224(1518)35136123422)26(31)209819(1623(20)3617)3727(32)21(1114395)3028(33)3829(23)4h710151621H61114H215H3(H3033)
MFCD00585611
ZINC000002219628
ZINC000002219630
Check stock
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Check stock on Vitas-MAvailable files
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